4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol

C15H21NO2 — CID 80715696

IUPAC4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol
SMILESCCC(NC1CC2CCC1O2)c1ccc(O)cc1
InChIInChI=1S/C15H21NO2/c1-2-13(10-3-5-11(17)6-4-10)16-14-9-12-7-8-15(14)18-12/h3-6,12-17H,2,7-9H2,1H3
InChIKeyQBOHOWPVYVYPEK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds4

About 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol

4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol (PubChem CID 80715696) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol
PubChem CID80715696
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol
SMILESCCC(NC1CC2CCC1O2)c1ccc(O)cc1
InChIInChI=1S/C15H21NO2/c1-2-13(10-3-5-11(17)6-4-10)16-14-9-12-7-8-15(14)18-12/h3-6,12-17H,2,7-9H2,1H3
InChIKeyQBOHOWPVYVYPEK-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[(2-methylcyclopropyl)amino]propyl]phenol
CID 62398897
N-[cyclopropyl-(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715476
(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 129378888
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide
CID 80720866
4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol
CID 79855934
4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol
CID 43734359
2-methyl-N-[1-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 62397495
N-[1-(4-fluorophenyl)propyl]-2-methylcyclopropan-1-amine
CID 62397881
4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol
CID 55013566
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)butanoic acid
CID 80721144
N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223945
2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 103760946

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol?
The IUPAC name of 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol (CID 80715696) is 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol is CCC(NC1CC2CCC1O2)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol?
The InChIKey is QBOHOWPVYVYPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-13(10-3-5-11(17)6-4-10)16-14-9-12-7-8-15(14)18-12/h3-6,12-17H,2,7-9H2,1H3.
What are the key properties of 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol?
4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol has a molecular weight of 247.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol is sourced from PubChem (CID 80715696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).